tert-butyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylate

C23H38FNO3Si — CID 155895440

IUPACtert-butyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccc(F)cc2)C(CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C23H38FNO3Si/c1-22(2,3)28-21(26)25-14-13-20(17-9-11-19(24)12-10-17)18(15-25)16-27-29(7,8)23(4,5)6/h9-12,18,20H,13-16H2,1-8H3
InChIKeyGIZWUSBVGJMBNL-UHFFFAOYSA-N
MW423.65 g/mol
LogP6.19
Rot. Bonds4

About tert-butyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylate

tert-butyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylate (PubChem CID 155895440) has the molecular formula C23H38FNO3Si and a molecular weight of 423.65 g/mol. Its IUPAC name is tert-butyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylate
PubChem CID155895440
Molecular FormulaC23H38FNO3Si
Molecular Weight423.65 g/mol
Exact Mass423.26
IUPAC Nametert-butyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccc(F)cc2)C(CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C23H38FNO3Si/c1-22(2,3)28-21(26)25-14-13-20(17-9-11-19(24)12-10-17)18(15-25)16-27-29(7,8)23(4,5)6/h9-12,18,20H,13-16H2,1-8H3
InChIKeyGIZWUSBVGJMBNL-UHFFFAOYSA-N
XLogP6.19
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.65
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylate (CID 155895440) is tert-butyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2ccc(F)cc2)C(CO[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylate?
The InChIKey is GIZWUSBVGJMBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38FNO3Si/c1-22(2,3)28-21(26)25-14-13-20(17-9-11-19(24)12-10-17)18(15-25)16-27-29(7,8)23(4,5)6/h9-12,18,20H,13-16H2,1-8H3.
What are the key properties of tert-butyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylate?
tert-butyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylate has a molecular weight of 423.65 g/mol, XLogP of 6.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylate is sourced from PubChem (CID 155895440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).